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Influence of the basis set on the dispersion energy between two hydrogen molecules from a non-empirical calculation

✍ Scribed by E. Kochanski

Publisher: Elsevier Science
Year: 1972
Tongue: English
Weight: 198 KB
Volume: 15
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(72)80161-1

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✦ Synopsis

It is shown that in the rectanguku configurarion, it is nt cessary to introduce "p" polarization atomic orbit& with small exponent in order to provide a good description of the dispersion energy.

Our the amilable semi~mpiriul results.

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